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2-[4-(Trifluoromethoxy)Phenoxy]Acetic Acid Hydrazide
CAS: 175204-36-1 | C9H9F3N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
175204-36-1
Molecular Formula:
C9H9F3N2O3
Molecular Mass:
250.18 g/mol
Names and Synonyms:
2-[4-(Trifluoromethoxy)Phenoxy]Acetic Acid Hydrazide
Acetic acid, 2-[4-(trifluoromethoxy)phenoxy]-, hydrazide
Acetic acid, [4-(trifluoromethoxy)phenoxy]-, hydrazide
2-[4-(Trifluoromethoxy)phenoxy]acetic acid hydrazide
2-[4-(Trifluoromethoxy)phenoxy]ethanohydrazide
2-[4-(Trifluoromethoxy)phenoxy]acetohydrazide
Identifiers:
SMILES:
NN=C(O)COc1ccc(OC(F)(F)F)cc1
InChI:
InChI=1S/C9H9F3N2O3/c10-9(11,12)17-7-3-1-6(2-4-7)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.18 g/mol | CAS Common Chemistry |
| 250.17599999999996 g/mol | RDKit | |
| 250.056526808 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)COC1=CC=C(OC(F)(F)F)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H9F3N2O3/c10-9(11,12)17-7-3-1-6(2-4-7)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=LBBKIDVFMPXFOD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[4-(Trifluoromethoxy)phenoxy]acetic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 77.07000000000001 Ų | RDKit |
| LogP | 1.7942 | RDKit |
| Molar Refractivity | 52.87120000000001 | RDKit |
